General Information of the Compound
| Compound ID |
CP0495136
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| Compound Name |
2-(6-hydroxyhexylthio)-4-methyl-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile
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| Structure |
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| Formula |
C17H23N5OS
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| Molecular Weight |
345.472
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| Canonical SMILES |
Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCCO)n2)[nH]n1
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| InChI |
InChI=1S/C17H23N5OS/c1-12-9-15(19-16-10-13(2)21-22-16)20-17(14(12)11-18)24-8-6-4-3-5-7-23/h9-10,23H,3-8H2,1-2H3,(H2,19,20,21,22)
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| InChIKey |
DDUNPQWISLAUDG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound